(5R)-5-(4-hydroxy-3-methoxyphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

C20H17N3O4 — CID 135774740

IUPAC(5R)-5-(4-hydroxy-3-methoxyphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCOc1cc([C@H]2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)ccc1O
InChIInChI=1S/C20H17N3O4/c1-27-15-9-12(7-8-14(15)24)13-10-16(25)21-19-17(13)20(26)23-18(22-19)11-5-3-2-4-6-11/h2-9,13,24H,10H2,1H3,(H2,21,22,23,25,26)/t13-/m1/s1
InChIKeyPWKXKPYCZNZPOT-CYBMUJFWSA-N
MW363.37 g/mol
LogP2.63
Rot. Bonds3

About (5R)-5-(4-hydroxy-3-methoxyphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

(5R)-5-(4-hydroxy-3-methoxyphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135774740) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is (5R)-5-(4-hydroxy-3-methoxyphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name(5R)-5-(4-hydroxy-3-methoxyphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135774740
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name(5R)-5-(4-hydroxy-3-methoxyphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCOc1cc([C@H]2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)ccc1O
InChIInChI=1S/C20H17N3O4/c1-27-15-9-12(7-8-14(15)24)13-10-16(25)21-19-17(13)20(26)23-18(22-19)11-5-3-2-4-6-11/h2-9,13,24H,10H2,1H3,(H2,21,22,23,25,26)/t13-/m1/s1
InChIKeyPWKXKPYCZNZPOT-CYBMUJFWSA-N
XLogP2.63
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-2-phenyl-5-(3,4,5-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135774706
(5S)-5-(3-hydroxyphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135774787
(5R)-5-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135860355
5-(3-methylphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135651930
2-phenyl-5-(2,3,4-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135652236
5-(3-chlorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135651890
(5R)-5-(3,5-difluorophenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135774801
(5S)-2-[(4-fluorophenyl)methylsulfanyl]-5-(4-hydroxy-3-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 136822431
5-[4-[(2-methylphenyl)methoxy]phenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135652561
(5S)-5-[4-[(3-methylphenyl)methoxy]phenyl]-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 136767556
2-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135511601
(5R)-5-(3-ethoxy-4-hydroxyphenyl)-2-ethylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 136833938

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-hydroxy-3-methoxyphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of (5R)-5-(4-hydroxy-3-methoxyphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135774740) is (5R)-5-(4-hydroxy-3-methoxyphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for (5R)-5-(4-hydroxy-3-methoxyphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for (5R)-5-(4-hydroxy-3-methoxyphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is COc1cc([C@H]2CC(=O)Nc3nc(-c4ccccc4)[nH]c(=O)c32)ccc1O.
What is the InChIKey of (5R)-5-(4-hydroxy-3-methoxyphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is PWKXKPYCZNZPOT-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-27-15-9-12(7-8-14(15)24)13-10-16(25)21-19-17(13)20(26)23-18(22-19)11-5-3-2-4-6-11/h2-9,13,24H,10H2,1H3,(H2,21,22,23,25,26)/t13-/m1/s1.
What are the key properties of (5R)-5-(4-hydroxy-3-methoxyphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
(5R)-5-(4-hydroxy-3-methoxyphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 363.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-hydroxy-3-methoxyphenyl)-2-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135774740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).